Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 3/20 | 0.52 |
| ▸ | CTSS | P25774 | 3/20 | 0.52 |
| ▸ | SIRT2 | Q8IXJ6 | 3/20 | 0.48 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | CTSK | P43235 | 7/20 | 0.48 |
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.46 |
| ▸ | TLR2 | O60603 | 1/20 | 0.45 |
| ▸ | CTSB | P07858 | 1/20 | 0.45 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL19684110 | 1.00 | CTSL (0.52) | CTSLCTSSSIRT2SIRT1ALDH1A1 | |
| SCHEMBL254236 | 0.87 | CTSL (0.55) | CTSLCTSSSIRT2SIRT1ALDH1A1 | |
| SCHEMBL7365937 | 0.83 | CTSK (0.54) | CTSLCTSSSIRT2SIRT1ALDH1A1 | |
| SCHEMBL22975021 | 0.82 | CTSL (0.57) | CTSLCTSSSIRT2SIRT1ALDH1A1 | |
| SCHEMBL28678129 | 0.82 | CTSL (0.57) | CTSLCTSSSIRT2SIRT1ALDH1A1 | |
| SCHEMBL13886795 | 0.82 | CTSS (0.54) | CTSLCTSSSIRT2SIRT1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL29604804 | 0.81 | CTSL (0.56) | CTSLCTSSSIRT2SIRT1ALDH1A1 | |
| SCHEMBL254960 | 0.81 | CTSL (0.58) | CTSLCTSSSIRT2SIRT1ALDH1A1 | |
| SCHEMBL9392638 | 0.81 | CTSL (0.57) | CTSLCTSSSIRT2SIRT1ALDH1A1 | |
| SCHEMBL19123985 | 0.81 | CTSL (0.57) | CTSLCTSSSIRT2SIRT1ALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9738604-B2 | Ethynylbenzene derivatives | DUKE UNIVERSITY (US) | 2017-08-22 | — | — | US | disclosed |
| US-20130231323-A1 | ETHYNYLBENZENE DERIVATIVES | DUKE UNIVERSITY (US) | 2013-09-05 | — | — | US | disclosed |
| WO-2012031298-A2 | ETHYNYLBENZENE DERIVATIVES | DUKE UNIVERSITY (US) | 2012-03-08 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20130231323-A1 | ETHYNYLBENZENE DERIVATIVES | Q6ZSR9, EPX, ZYX | CTSL 1612/4885CTSS 1965/4885SIRT2 3699/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.